5-(4-chloro-2-(1-cyclopropylethylcarbamoyl)phenylcarbamoyl)-1-(3-chloropyridin-2-yl)-4,5-dihydro-1H-pyrazol-3-yl 4-methylbenzenesulfonate

HCID 86639906

기본 정보

표준 SMILES
Cc1ccc(S(=O)(=O)OC2=NN(c3ncccc3Cl)C(C(=O)Nc3ccc(Cl)cc3C(=O)NC(C)C3CC3)C2)cc1
InChIKey
BFFVLTDHPQFSCG-UHFFFAOYSA-N
분자식
C28H27Cl2N5O5S
평균 분자량
616.5 g/mol
단동위원소 질량
615.1109955

이름 및 식별자

우선 이름
5-(4-chloro-2-(1-cyclopropylethylcarbamoyl)phenylcarbamoyl)-1-(3-chloropyridin-2-yl)-4,5-dihydro-1H-pyrazol-3-yl 4-methylbenzenesulfonate
IUPAC
[3-[[4-chloro-2-(1-cyclopropylethylcarbamoyl)phenyl]carbamoyl]-2-(3-chloro-2-pyridinyl)-3,4-dihydropyrazol-5-yl] 4-methylbenzenesulfonate

이름 및 동의어

SCHEMBL590692BFFVLTDHPQFSCG-UHFFFAOYSA-N5-(4-chloro-2-(1-cyclopropylethylcarbamoyl)phenylcarbamoyl)-1-(3-chloropyridin-2-yl)-4,5-dihydro-1H-pyrazol-3-yl 4-methylbenzene sulfonate5-(4-chloro-2-(1-cyclopropylethylcarbamoyl)phenylcarbamoyl)-1-(3-chloropyridin-2-yl)-4,5-dihydro-1H-pyrazol-3-yl 4-methylbenzenesulfonate5-(4-chloro-2-(1-cyclopropylethylcarbamoyl)phenylcarbamoyl)-1-(3-chloropyridin-2-yl)-4,5-dihydro-1H-pyrazole-3-yl 4-methylbenzenesulfonate

데이터베이스 식별자

PubChem CID
86639906

물성

구조 계산 물성

XLogP
5.9
극성 표면적
138 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
8
회전 가능 결합 수
9
무거운 원자 수
41

관련 반응

8건

화합물 노트

불러오는 중…