(3S)-N-(6-Chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[(2R,6S)-2,6-dimethyl-4-morpholinyl]-2-oxoethyl]-6,6-dimethyl-3-morpholinecarboxamide (HCID 67165125)

기본 정보

표준 SMILES: CC1CN(C(=O)CN2CC(C)(C)OCC2C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CC(C)O1
InChIKey: BQBAVNBXWBYXIF-UHFFFAOYSA-N
분자식: C26H32ClN5O4
평균 분자량: 514 g/mol

이름 및 식별자

우선 이름: (3S)-N-(6-Chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[(2R,6S)-2,6-dimethyl-4-morpholinyl]-2-oxoethyl]-6,6-dimethyl-3-morpholinecarboxamide
IUPAC: N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-6,6-dimethylmorpholine-3-carboxamide

이름 및 동의어

SCHEMBL1798964BQBAVNBXWBYXIF-UHFFFAOYSA-N(3S)-N-(6-Chloro-9H-pyrido[3,4-b]indol-8-yl)-4-[2-[(2R,6S)-2,6-dimethyl-4-morpholinyl]-2-oxoethyl]-6,6-dimethyl-3-morpholinecarboxamide4-[2-(2,6-Dimethyl-morpholin-4-yl)-2-oxo-ethyl]-6,6-dimethyl-morpholine-3-carboxylic acid (6-chloro-9H-b-carbolin-8-yl)-amide4-[2-(2,6-Dimethyl-morpholin-4-yl)-2-oxo-ethyl]-6,6-dimethyl-morpholine-3-carboxylic acid (6-chloro-9H-beta-carbolin-8-yl)-amide

데이터베이스 식별자

PubChem CID: 67165125

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 99.8 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 6
회전 가능 결합 수: 4
무거운 원자 수: 36
형식 전하: 0
복잡도: 820

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