기본 정보
- 표준 SMILES
COC(=O)CC1CCC(CN2CCCC(N(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3cc(C)no3)c3cc(C)c(C(F)(F)F)cc32)CC1- InChIKey
SZESGYMIZWMYDX-UHFFFAOYSA-N- 분자식
- C35H38F9N3O3
- 평균 분자량
- 719.7 g/mol
- 단동위원소 질량
- 719.27694554
이름 및 식별자
- 우선 이름
- (4-(5-[(3,5-Bis-trifluoromethyl-benzyl)-(3-methyl-isoxazol-5-yl)-amino]-7-methyl-8-trifluoromethyl-2,3,4,5-tetrahydro-benzo[b]azepin-1-ylmethyl}-cyclohexyl)-acetic acid methyl ester
- IUPAC
- methyl 2-[4-[[5-[[3,5-bis(trifluoromethyl)phenyl]methyl-(3-methyl-1,2-oxazol-5-yl)amino]-7-methyl-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]methyl]cyclohexyl]acetate
이름 및 동의어
(4-(5-[(3,5-bis-trifluoromethyl-benzyl)-(3-methyl-isoxazol-5-yl)-amino]-7-methyl-8-trifluoromethyl-2,3,4,5-tetrahydro-benzo[b]azepin-1-ylmethyl}-cyclohexyl)-acetic acid methyl ester(4-{5-[(3,5-Bis-trifluoromethyl-benzyl)-(3-methyl-isoxazol-5-yl)-amino]-7-methyl-8-trifluoromethyl-2,3,4,5-tetrahydro-benzo[b]azepin-1-ylmethyl}-cyclohexyl)-acetic acid methyl esterSCHEMBL1382498
데이터베이스 식별자
- PubChem CID
- 11664840
물성
구조 계산 물성
- XLogP
- 9.8
- 극성 표면적
- 58.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 15
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 50
- 형식 전하
- 0
- 복잡도
- 1,090
관련 반응
3건
화합물 노트
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