Methyl 2-((1r,4r)-4-(4-(5-((6-(trifluoromethyl)pyridin-3-yl)amino)pyridin-2-yl)phenyl)cyclohexyl)acetate

HCID 24938267

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 956136-97-3
표준 SMILES: COC(=O)CC1CCC(c2ccc(-c3ccc(Nc4ccc(C(F)(F)F)nc4)cn3)cc2)CC1
InChIKey: RCYGBTZMDNSHGT-UHFFFAOYSA-N
분자식: C26H26F3N3O2
평균 분자량: 469.5 g/mol
단동위원소 질량: 469.19771157

이름 및 식별자

우선 이름: Methyl 2-((1r,4r)-4-(4-(5-((6-(trifluoromethyl)pyridin-3-yl)amino)pyridin-2-yl)phenyl)cyclohexyl)acetate
IUPAC: methyl 2-[4-[4-[5-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2-pyridinyl]phenyl]cyclohexyl]acetate

이름 및 동의어

956136-97-3RefChem:813025808-237-9Methyl 2-((1r,4r)-4-(4-(5-((6-(trifluoromethyl)pyridin-3-yl)amino)pyridin-2-yl)phenyl)cyclohexyl)acetate(4-{4-[5-(6-Trifluoromethyl-pyridin-3-ylamino)-pyridin-2-yl]-phenyl}-cyclohexyl)-acetic acid methyl estermethyl 2-{4-[4-(5-{[6-(trifluoromethyl)pyridin-3-yl]amino}pyridin-2-yl)phenyl]cyclohexyl}acetateSCHEMBL180703

데이터베이스 식별자

CAS: 956136-97-3
PubChem CID: 24938267
EC Number: 808-237-9

물성

구조 계산 물성

XLogP: 6
극성 표면적: 64.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 8
회전 가능 결합 수: 7
무거운 원자 수: 34
형식 전하: 0
복잡도: 646

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H360 (100%): May damage fertility or the unborn child [Danger Reproductive toxicity]；H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]；H373 (100%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]；H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

P203, P260, P273, P280, P318, P319, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.